ethyl 3-(2-azanylethynyl)-6-[4-(phenylmethyl)phenoxy]hexanoate

Systemtic Name: ethyl 3-(2-azanylethynyl)-6-[4-(phenylmethyl)phenoxy]hexanoate Openeye Name: ethyl 3-(2-aminoethynyl)-6-(4-benzylphenoxy)hexanoate CAS Name: 3-(2-aminoethynyl)-6-[4-(phenylmethyl)phenoxy]hexanoic acid ethyl ester IUPAC Name: ethyl 3-(2-aminoethynyl)-6-(4-benzylphenoxy)hexanoate Traditional Name: 5-amino-3-[3-(4-benzylphenoxy)propyl]pent-4-ynoic acid ethyl ester Formula: C23H27NO3 MolecularWeight: 365.46538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(CCCOC1=CC=C(C=C1)CC2=CC=CC=C2)C#CN

Isomeric SMILES

CCOC(=O)CC(CCCOC1=CC=C(C=C1)CC2=CC=CC=C2)C#CN

InChI

InChI=1S/C23H27NO3/c1-2-26-23(25)18-20(14-15-24)9-6-16-27-22-12-10-21(11-13-22)17-19-7-4-3-5-8-19/h3-5,7-8,10-13,20H,2,6,9,16-18,24H2,1H3